[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)COC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)COC

InChI

InChI=1S/C19H18N2O4/c1-13(18(22)21-17-8-4-5-14(10-17)11-20)25-19(23)16-7-3-6-15(9-16)12-24-2/h3-10,13H,12H2,1-2H3,(H,21,22)/t13-/m0/s1